Book ChapterDOI
Occurrence, Extraction, Production and uses of Molybdenum
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This article is published in Studies in Inorganic Chemistry.The article was published on 1994-01-01. It has received 10 citations till now. The article focuses on the topics: Extraction (chemistry) & Molybdenum.read more
Citations
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Properties of oxygen sites at the MoO_3(010) surface: density functional theory cluster studies and photoemission experiments
Renata Tokarz-Sobieraj,Klaus Hermann,Malgorzata Witko,Andreas Blume,Gerhard Mestl,Robert Schlögl +5 more
TL;DR: In this article, a density functional theory (DFT) analysis of the O 2sp dominated valence band region of MoO 3 was carried out to examine the electronic structure of the oxide systems.
Journal ArticleDOI
An ab initio LAPW study of the α and β phases of bulk molybdenum trioxide, MoO3
TL;DR: In this paper, the structure and electronic properties of the α-MoO3 were studied with periodic LAPW calculations with the results in excellent agreement with the reported experimental pseudo-cubic results.
Journal ArticleDOI
Surface oxygen in catalysts based on transition metal oxides: What can we learn from cluster DFT calculations?
TL;DR: In this paper, the authors performed cluster model studies by means of ab initio DFT method to examine electronic properties of different surface O atoms in several V2O5 and MoO3 systems and correlate them with catalytic behavior.
Journal ArticleDOI
Electronic structure of MoO2. DFT periodic and cluster model studies
TL;DR: In this paper, the electronic properties of MoO 2 bulk and (0, 1, 1) surface are discussed. But the surface retains the metallic character of the bulk, and it is found that Fermi level is located within the band dominated by d molybdenum orbitals.
Journal ArticleDOI
Formation of one-dimensional molybdenum oxide on Mo(112)
Sarp Kaya,Jonas Weissenrieder,Dario Stacchiola,Tanya K. Todorova,Marek Sierka,Joachim Sauer,Shamil K. Shaikhutdinov,Hans-Joachim Freund +7 more
TL;DR: In this article, the atomic structure of a reconstructed Mo(1/1/2)-O(2/2/3) surface has been revisited using photoelectron spectroscopy with synchrotron radiation, scanning tunneling microscopy, infrared reflection absorption spectrography and density functional theory.
References
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Journal ArticleDOI
The activity of several molybdenum compounds for the methanation of CO2
TL;DR: Several molybdenum compounds were prepared and their catalytic properties in the methanation of CO at 350 °C were investigated and compared with those of nickel and iron as mentioned in this paper.
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Hydrolysis of Molybdenum(VI). Ultracentrifugation, Acidity Measurements, and Raman Spectra of Polymolybdates
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A study of mechanisms of graphite friction and wear
TL;DR: In this paper, a basic research program to determine fundamental phenomena involved in lubrication by graphite and other lamellar solids is described, where a theoretical calculation of the interlamellar binding energy of the ideal graphite lattice is described.
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The Anodic Oxidation of Iron in a Neutral Solution II . Effect of Ferrous Ion and pH on the Behavior of Passive Iron
Masaichi Nagayama,Morris Cohen +1 more
TL;DR: In this article, the decay of the polarized passive potential on open circuit is explained as due mainly to the change in the defect-concentration and consequently of the film composition at the oxide/solution interface either by the outward migration of iron through the film or by the reaction with Fe++ ion in solution when the latter had been added or supplied by a small amount of self-corrosion.